SCHEMBL6897952

SCHEMBL6897952

CC(C)=Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA2B P29275 5/20 0.51
ADORA3 P0DMS8 3/20 0.51
ADORA1 P30542 3/20 0.51
AHCY P23526 3/20 0.46
HIF1A Q16665 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HSP90B1 P14625 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CARM1 Q86X55 1/20 0.44
AMD1 P17707 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
EHMT2 Q96KQ7 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5498775 0.83 AHCY (0.51) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL9155536 0.83 AHCY (0.51) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL1757011 0.82 AHCY (0.68) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL29385449 0.82 AHCY (0.68) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL2117335 0.82 AHCY (0.68) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL6902911 0.81 AHCY (0.67) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL6902895 0.81 AHCY (0.67) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL6902907 0.81 AHCY (0.67) ADORA2AADORA2BADORA3ADORA1AHCY
SCHEMBL6235490 0.79 HPGD (0.47)
SCHEMBL9052971 0.78 AHCY (0.49) ADORA2AADORA2BADORA3ADORA1AHCY

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3732180-A1 COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS Emory University (US) 2020-11-04 EP disclosed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 EP disclosed